2-(11-cyano-6H-benzo[c][1]benzothiepin-11-yl)ethyl-dimethylazanium;2-hydroxy-2-oxoacetate
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![2-(11-cyano-6H-benzo[c][1]benzothiepin-11-yl)ethyl-dimethylazanium;2-hydroxy-2-oxoacetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/54ceebfecc1a4b5f99dcd3f24f34e9f5.png "2-(11-cyano-6H-benzo[c][1]benzothiepin-11-yl)ethyl-dimethylazanium;2-hydroxy-2-oxoacetate")
2-(11-cyano-6H-benzo[c][1]benzothiepin-11-yl)ethyl-dimethylazanium;2-hydroxy-2-oxoacetate
structure -
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CAS No:
87997-49-7
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Formula:
C21H22N2O4S
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Chemical Name:
2-(11-cyano-6H-benzo[c][1]benzothiepin-11-yl)ethyl-dimethylazanium;2-hydroxy-2-oxoacetate
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Synonyms:
87997-49-7;11-(2-Dimethylaminoethyl)-6,11-dihydrodibenzo(b,e)thiepin-11-carbonitrile oxalate hemihydrate;Dibenzo(b,e)thiepin-11-carbonitrile, 6,11-dihydro-11-(2-(dimethylamino)ethyl)-, ethanedioate,hydrate (2:2:1)
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CAS No:
2-(11-cyano-6H-benzo[c][1]benzothiepin-11-yl)ethyl-dimethylazanium;2-hydroxy-2-oxoacetate Basic Attributes
398.5 g/mol
398.13002836 g/mol
Computed Properties
Molecular Weight:398.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:398.13002836
Monoisotopic Mass:398.13002836
Topological Polar Surface Area:131
Heavy Atom Count:28
Complexity:504
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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